4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine

C13H11F3N2O2 — CID 115531652

IUPAC4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
SMILESCOC(OC)c1ccnc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C13H11F3N2O2/c1-19-13(20-2)10-3-4-17-12(18-10)7-5-8(14)11(16)9(15)6-7/h3-6,13H,1-2H3
InChIKeyVIFNABWUVYAHGZ-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.85
Rot. Bonds4

About 4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine

4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine (PubChem CID 115531652) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
PubChem CID115531652
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
SMILESCOC(OC)c1ccnc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C13H11F3N2O2/c1-19-13(20-2)10-3-4-17-12(18-10)7-5-8(14)11(16)9(15)6-7/h3-6,13H,1-2H3
InChIKeyVIFNABWUVYAHGZ-UHFFFAOYSA-N
XLogP2.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine
CID 114015736
4-(dimethoxymethyl)-2-phenylpyrimidine
CID 79020331
4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine
CID 113329743
3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol
CID 114016157
[4-[4-(dimethoxymethyl)pyrimidin-2-yl]phenyl] 4-fluorobenzoate
CID 1491142
N-[[2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62749520
4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine
CID 104790809
sodium 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine
CID 22722063
2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine
CID 55262615
4-(1-methoxyethyl)-2-phenylpyrimidine
CID 141154536
4-(dimethoxymethyl)-2-(2-nitrophenyl)pyrimidine
CID 115531749
4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine
CID 115531673

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine (CID 115531652) is 4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine is COC(OC)c1ccnc(-c2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine?
The InChIKey is VIFNABWUVYAHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-19-13(20-2)10-3-4-17-12(18-10)7-5-8(14)11(16)9(15)6-7/h3-6,13H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine?
4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine has a molecular weight of 284.24 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine is sourced from PubChem (CID 115531652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).